Geometry & MOs

Info

ID:	154199
PubChem CID:	56313604
Reduced:	FO2N3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	422.229346
ΔH_f, kcal/mol:	-67.05
Dipole, Da:	3.42
IP(EA), eV:	-8.89(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)CCNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)C

DOS

IR

Vibrations